Crystallography Open Database

Information card for entry 4031879

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Coordinates	4031879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H22 N2 O4
Calculated formula	C19 H22 N2 O4
Title of publication	Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.
Authors of publication	Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	4
Pages of publication	1461 - 1475
a	6.5131 ± 0.0004 Å
b	15.578 ± 0.001 Å
c	17.347 ± 0.0011 Å
α	90°
β	99.532 ± 0.004°
γ	90°
Cell volume	1735.74 ± 0.19 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0897
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for all reflections	0.1554
Weighted residual factors for significantly intense reflections	0.1303
Weighted residual factors for all reflections included in the refinement	0.1554
Goodness-of-fit parameter for all reflections included in the refinement	1.0481
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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